SCHEMBL7962962

SCHEMBL7962962

CCCOc1ccccc1-c1nc2sccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 1.00
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
PDE2A O00408 1/20 0.57
PDE6D O43924 1/20 0.57
USP2 O75604 1/20 0.57
PDE9A O76083 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
PDE6A P16499 1/20 0.57
PDE6G P18545 1/20 0.57
PDE4A P27815 1/20 0.57
PDE6B P35913 1/20 0.57
PDE6C P51160 1/20 0.57
PDE1A P54750 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7164458 0.81 GUSB (0.81) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL149241 0.78 PDE5A (0.72) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7722411 0.78 PDE5A (0.77) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7965710 0.78 PDE5A (0.69) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL27965909 0.77 PDE5A (0.62) PDE5AKDM4EALDH1A1KMT2AMAPT
SCHEMBL7965712 0.77 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7159216 0.77 PDE5A (0.66) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7722832 0.76 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7372948 0.76 PDE5A (0.70) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7901239 0.76 PDE5A (0.61) PDE5AKDM4EALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349239-B1 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE FRENCH LAB (GB) 1994-03-16 EP claimed
EP-0349239-A2 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-03 EP claimed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0349239-B1 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE FRENCH LAB (GB) 1994-03-16 EP disclosed
US-5075310-A PYRIMIDONE DERIVATIVES AS BRONCHODILATORS SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-24 US disclosed
US-5075310-A PYRIMIDONE DERIVATIVES AS BRONCHODILATORS SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-24 US disclosed
EP-0349239-A2 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-03 EP disclosed